DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:29 UTC
Update Date	2025-03-21 18:36:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109115
Frequency	24.5
Structure
Chemical Formula	C₁₁H₁₂N₂O₅
Molecular Mass	252.0746
SMILES	CC(=O)NC(Cc1cccc([N+](=O)[O-])c1)C(=O)O
InChI Key	KIOSEOFZTDAFBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium acetamide amphetamine or derivatives nitrobenzene n-acyl-alpha amino acid or derivatives nitroaromatic compound n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

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